chempirical

1,3-Benzodioxole-5-ethanamine

C9H11NO2CAS 1484-85-1165.19 g/mol

Open in Covalent MOL file
H2NOO
AcetalEtherPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
114 °C
Boiling point
166 °C (at 20 Torr)
logP
0.92Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1484-85-1
SMILES
NCCc1ccc2c(c1)OCO2
InChIKey
RRIRDPSOCUCGBV-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Phenethylamine, 3,4-(methylenedioxy)-
  • Homopiperonylamine
  • 3,4-(Methylenedioxy)phenethylamine
  • 3,4-(Methylenedioxy)-β-phenethylamine
  • 2-(3,4-Methylenedioxyphenyl)ethylamine
  • 3,4-(Methylenedioxy)phenylethylamine
  • [2-(Benzodioxol-5-yl)ethyl]amine
  • 2-Benzo[1,3]dioxol-5-yl-ethylamine
  • 2-Benzo[1,3]dioxol-5-ylethanamine
  • 5-(2-Aminoethyl)benzodioxole
  • 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine
  • 5-(2-Aminoethyl)-1,3-benzodioxole
  • 2-(2H-1,3-Benzodioxol-5-yl)ethan-1-amine
  • 2-(1,3-Dioxaindan-5-yl)ethan-1-amine

Work with 1,3-Benzodioxole-5-ethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-189 % similar 3,4-Diethoxybenzeneethanamine61381-04-271 % similar 1,3-Benzodioxole-5-methanamine2620-50-066 % similar 3,4-Dimethoxyphenethylamine120-20-759 % similar Piperonyl chloride20850-43-555 % similar Piperonyl alcohol495-76-155 % similar 1,3-Benzodioxole-5-propanoic acid2815-95-451 % similar Dulcinyl55418-52-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4 N-(Phenylmethyl)glycine17136-36-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook